SCHEMBL1176741

SCHEMBL1176741

[NH]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TAAR1 Q96RJ0 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
WDR5 P61964 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MGLL Q99685 1/20 0.43
KIF11 P52732 1/20 0.43
NOTUM Q6P988 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tannin Pyrogallol SCHEMBL28605084 0.86 ALDH1A1 (0.82) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL143471 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL18674172 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Biphenyl SCHEMBL895675 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL11689471 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL1991754 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL21448 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL2637802 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL827097 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL29713847 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
US-20220413384-A1 PHOTOSENSITIVE COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-12-29 US disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
WO-2020067144-A1 NUCLEATING AGNET, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF 株式会社ADEKA 2020-04-02 WO disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
CN-1219927-A Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 1999-06-16 CN disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4866087-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1989-09-12 US disclosed
US-4402969-A UREA ANALOGS OF DIPEPTIDES MERCK & CO., INC. (US) 1983-09-06 US disclosed
EP-0061684-A1 Urea compounds as antihypertensives MERCK & CO. INC. (US) 1982-10-06 EP disclosed
EP-0056475-A2 Pharmaceutical compositions MERCK PATENT GmbH (DE) 1982-07-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 ALDH1A1 2699/4885TAAR1 1273/4885CYP1A2 3026/4885
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO ALDH1A1 334/4885TAAR1 3196/4885CYP1A2 1548/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 ALDH1A1 3209/4885TAAR1 2559/4885CYP1A2 1682/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO ALDH1A1 334/4885TAAR1 3196/4885CYP1A2 1548/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.